3-(4-氨基苯基)-n-甲基丙酰胺 | 705256-69-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-氨基苯基)-n-甲基丙酰胺
• 中文别名: 3-(4-氨基苯基)-N-甲基丙酰胺
• 英文名称: 3-(4-aminophenyl)-N-methylpropanamide
• CAS: 705256-69-5
• 化学式: C₁₀H₁₄N₂O
• mdl: MFCD10022151
• 分子量: 178.234
• InChiKey: XDIZSQMXCUSTBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3-(4-氨基苯基)-n-甲基丙酰胺 生成 methyl N-{4-[3-(methylamino)-3-oxopropyl]phenyl}glycinate
  参考文献：
  名称：

  [EN] 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B
  [FR] DERIVES DE 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXYDE UTILISES EN TANT QU'INHIBITEURS DE LA PROTEINE TYROSINE PHOSPHATASE PTP1B

  摘要：

  该发明涉及式(I)的化合物或其在药学上可接受的盐中，其中R1、R2、R3、R4和R5具有描述中定义的任何含义。还描述了制备式(I)化合物的方法、含有它们的组合物、它们作为蛋白酪氨酸磷酸酶PTP1B抑制剂的用途以及它们用于治疗糖尿病的用途。

  公开号：

  WO2004050646A1
• 作为产物：
  描述：

  对硝基肉桂酸 在 氯化亚砜 、 5%-palladium/activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 3-(4-氨基苯基)-n-甲基丙酰胺
  参考文献：
  名称：

  Design, synthesis and evaluation of novel diaryl urea derivatives as potential antitumor agents

  摘要：

  A novel series of diaryl ureas containing different linker groups were designed and synthesized. Their in vitro antitumor activity against MX-1, A375, HepG2, Ketr3 and HT-29 was evaluated using the standard MIT assay. Compounds having a rigid linker group such as vinyl, ethynyl and phenyl showed significant inhibitory activity against a variety of cancer cell lines. Specifically, compound 23 with a phenyl linker group demonstrated broad-spectrum antitumor activity with IC50 values of 5.17-6.46 mu M against five tested tumor cell lines. Compound 23 is more potent than reference drug sorafenib (8.27-15.2 mu M), representing a promising lead for further optimization. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.03.020

文献信息

• Exploiting the Carboxylate-Binding Pocket of β-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library
  作者：Suhyeorn Park、Jiayi Fan、Srinivas Chamakuri、Murugesan Palaniappan、Kiran Sharma、Xuan Qin、Jian Wang、Zhi Tan、Allison Judge、Liya Hu、Banumathi Sankaran、Feng Li、B. V. Venkataram Prasad、Martin M. Matzuk、Timothy Palzkill

  DOI：10.1021/acs.jmedchem.3c01834

  日期：2024.1.11

  resistance to the important β-lactam class of antibiotics. The OXA-48 and NDM-1 β-lactamases cause resistance to the last-resort β-lactams, carbapenems, leading to a serious public health threat. Here, we utilized DNA-encoded chemical library (DECL) technology to discover novel β-lactamase inhibitors. We exploited the β-lactamase enzyme–substrate binding interactions and created a DECL targeting the carboxylate-binding

  β-内酰胺酶水解，从而使细菌对重要的 β-内酰胺类抗生素产生耐药性。OXA-48 和 NDM-1 β-内酰胺酶对最后的 β-内酰胺类药物（碳青霉烯类）产生耐药性，导致严重的公共卫生威胁。在这里，我们利用 DNA 编码的化学文库 （DECL） 技术来发现新型 β-内酰胺酶抑制剂。我们利用了 β-内酰胺酶-底物结合相互作用，并创建了一个靶向所有 β-内酰胺酶中存在的羧酸盐结合口袋的 DECL。设计、构建了一个包含 106 种化合物的文库，每种化合物都含有羧酸或四唑作为酶识别元件，用于鉴定具有微摩尔至纳摩尔效力的 OXA-48 和 NDM-1 抑制剂。进一步的优化导致 NDM-1 抑制剂具有更高的效力和生物活性。这项工作表明，基于底物结合信息设计的羧酸盐结合口袋靶向 DECL 有助于抑制剂鉴定，并导致发现新的非 β-内酰胺类药物效用团，用于开发针对不同结构和机制类别的酶的 β-内酰胺酶抑制剂。
• METHODS AND COMPOSITIONS FOR PREVENTING SKIN TOXICITIES CAUSED BY BIOLOGICAL TARGETED CANCER DRUGS
  申请人：Hadasit Medical Research Services and Development Ltd.

  公开号：EP4013408A1

  公开（公告）日：2022-06-22
• [EN] METHODS AND COMPOSITIONS FOR PREVENTING SKIN TOXICITIES CAUSED BY BIOLOGICAL TARGETED CANCER DRUGS<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR PRÉVENIR LES TOXICITÉS CUTANÉES PROVOQUÉES PAR DES MÉDICAMENTS ANTICANCÉREUX CIBLÉS BIOLOGIQUES
  申请人：HADASIT MEDICAL RES SERVICES & DEVELOPMENT LIMITED

  公开号：WO2021028919A1

  公开（公告）日：2021-02-18

  The invention concerns methods for inhibiting binding of systemically administered drugs to a target in the skin by topically administering materials prior to or concomitantly with administration of the systemic drugs.
• Design, synthesis and evaluation of novel diaryl urea derivatives as potential antitumor agents
  作者：Chenshu Lu、Ke Tang、Yan Li、Peng Li、Ziyun Lin、Dali Yin、Xiaoguang Chen、Haihong Huang

  DOI：10.1016/j.ejmech.2014.03.020

  日期：2014.4

  A novel series of diaryl ureas containing different linker groups were designed and synthesized. Their in vitro antitumor activity against MX-1, A375, HepG2, Ketr3 and HT-29 was evaluated using the standard MIT assay. Compounds having a rigid linker group such as vinyl, ethynyl and phenyl showed significant inhibitory activity against a variety of cancer cell lines. Specifically, compound 23 with a phenyl linker group demonstrated broad-spectrum antitumor activity with IC50 values of 5.17-6.46 mu M against five tested tumor cell lines. Compound 23 is more potent than reference drug sorafenib (8.27-15.2 mu M), representing a promising lead for further optimization. (C) 2014 Elsevier Masson SAS. All rights reserved.
• [EN] 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B<br/>[FR] DERIVES DE 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXYDE UTILISES EN TANT QU'INHIBITEURS DE LA PROTEINE TYROSINE PHOSPHATASE PTP1B
  申请人：ASTRAZENECA AB

  公开号：WO2004050646A1

  公开（公告）日：2004-06-17

  The invention concerns compounds of the formula (I) or pharmaceutically acceptable salts thereof wherein R1, R2, R3, R4, and R5 have any of the meanings defined in the description.Processes for the manufacture of compounds of formula (I), compositions containing them, their use as inhibitors of protein tyrosine phosphatase PTP1B and their use for the treatment of diabetes mellitus are also described.

  该发明涉及式(I)的化合物或其在药学上可接受的盐中，其中R1、R2、R3、R4和R5具有描述中定义的任何含义。还描述了制备式(I)化合物的方法、含有它们的组合物、它们作为蛋白酪氨酸磷酸酶PTP1B抑制剂的用途以及它们用于治疗糖尿病的用途。